Spectrum Details
MiMe ID:MMDBc0009990
Compound Name:(-)-9-hydroxyhexylitaconic acid
Derivative IUPAC Name:1,4-ditrimethylsilyl 2-(5-hydroxyhexyl)-3-methylidenebutanedioate
Derivative SMILES:C=C(C(=O)O[Si](C)(C)C)C(CCCCC(C)O)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=BRRAUSOZFIQBNE-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C11H18O5
Molecular Weight (Monoisotopic Mass):230.1154 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References